Geometry & MOs

Info

ID:	190971
PubChem CID:	78088194
Reduced:	SC19H38 (1)
Stoich.:	AB19C38 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-77.47
Dipole, Da:	1.86
IP(EA), eV:	-8.17(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3a-ethoxycarbonyl-2-oxo-1-(3-phenylprop-2-ynyl)-3,4,5,6-tetrahydroindol-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCCCC(CCCCCC)C=CSC(C)(C)C

DOS

IR

Vibrations